[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone

C17H14F2N4O2 — CID 110203268

IUPAC[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1nnc([C@@H]2CC(F)(F)CN2C(=O)c2ccc3ncccc3c2)o1
InChIInChI=1S/C17H14F2N4O2/c1-10-21-22-15(25-10)14-8-17(18,19)9-23(14)16(24)12-4-5-13-11(7-12)3-2-6-20-13/h2-7,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyLXXZNRQRPJWQPD-AWEZNQCLSA-N
MW344.32 g/mol
LogP3.15
Rot. Bonds2

About [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone

[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 110203268) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
PubChem CID110203268
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1nnc([C@@H]2CC(F)(F)CN2C(=O)c2ccc3ncccc3c2)o1
InChIInChI=1S/C17H14F2N4O2/c1-10-21-22-15(25-10)14-8-17(18,19)9-23(14)16(24)12-4-5-13-11(7-12)3-2-6-20-13/h2-7,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyLXXZNRQRPJWQPD-AWEZNQCLSA-N
XLogP3.15
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone (CID 110203268) is [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone is Cc1nnc([C@@H]2CC(F)(F)CN2C(=O)c2ccc3ncccc3c2)o1.
What is the InChIKey of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is LXXZNRQRPJWQPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-10-21-22-15(25-10)14-8-17(18,19)9-23(14)16(24)12-4-5-13-11(7-12)3-2-6-20-13/h2-7,14H,8-9H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone?
[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 344.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 110203268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).